4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide

C14H25F3N4O2S — CID 111118207

IUPAC4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N4O2S/c1-11-2-6-20(7-3-11)13(18)19-10-12-4-8-21(9-5-12)24(22,23)14(15,16)17/h11-12H,2-10H2,1H3,(H2,18,19)
InChIKeyGFJGVFRMMXGWIW-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.59
Rot. Bonds3

About 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide

4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide (PubChem CID 111118207) has the molecular formula C14H25F3N4O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide
PubChem CID111118207
Molecular FormulaC14H25F3N4O2S
Molecular Weight370.44 g/mol
Exact Mass370.17
IUPAC Name4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N4O2S/c1-11-2-6-20(7-3-11)13(18)19-10-12-4-8-21(9-5-12)24(22,23)14(15,16)17/h11-12H,2-10H2,1H3,(H2,18,19)
InChIKeyGFJGVFRMMXGWIW-UHFFFAOYSA-N
XLogP1.59
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(Difluoromethylsulfonyl)piperidin-4-yl]methyl]-1,3-diethylguanidine
CID 53591917
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379314
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-ethyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 109394974
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 109394976
2-Methyl-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109395915
2-Methyl-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109395916
2-Methyl-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472157
1-Ethyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472159
2-Methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109636554
2-Methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109636555
1-Ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109636560
1-Ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109636561

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide (CID 111118207) is 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide?
The InChIKey is GFJGVFRMMXGWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O2S/c1-11-2-6-20(7-3-11)13(18)19-10-12-4-8-21(9-5-12)24(22,23)14(15,16)17/h11-12H,2-10H2,1H3,(H2,18,19).
What are the key properties of 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide?
4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide has a molecular weight of 370.44 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111118207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).